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cas_number

mol_formulamol_weightsynonym
8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-

3-OH Desloratidine

C19H19ClN2O
metabolites

119410-08-1

metabolites

386750-22-7

metabolites

64480-66-6

C26H43NO54

C19H20N2O4S
metabolites

449.62372.45146062-44-4

4-[2-(Dimethylami)-1-(1hydroxycyclohexyl)ethyl]phel Succinate;N-[(3.alpha.,5.beta.,7.beta.)-3,7-dihydroxy-24oxocholan-24-yl]Glycine
pyridinyl]ethoxy]phenyl]methyl]-2,4thiazolidinedione;
3-[2-[[3-(9H-Carbazol-4-yloxy)-2-4-Hydroxyphenyl
Carvedilol

H2O

263.385-[[4-[2-[5-(2-Hydroxyethyl)-2-Hydroxy
Pioglitazone (MIV)

ethoxycarbonyl-5-methoxycarbonyl)-6-methyl1,4-dihydropyridine

C16H25NO2.C4H6O4.
metabolites

421.82113994-45-9

Glycoursodeoxycho
lic acidHydroxydesloratadine; Sch 45581;
C20H20ClNO7

Desvenlafexine
succinate

5H-benzo[5,6]cyclohepta[1,2-b]pyridin-3-ol; 32-[(2-Amiethoxy)methyl]-4-(2-chlorophenyl)-3-

Amlodipine
metabolite

326.82

C24H26N2O5
metabolites

142227-49-4

N-Desmethyl
Sildenafil

71939-50-9

1,6-dihydro-1-methyl-3-propyl-7Hpyrazolo[4,3-d]pyrimidin-7-one;
Desmethylsildenafil; UK 103320;(3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-

C15H24O5
metabolites

460.55139755-82-1

Dihydroartemisininhydroxypropyl]ami]ethoxy]-4-methoxyphel; 5Hydroxycarvedilol; BM 140830;
5-[2-Ethoxy-5-(1-piperazinylsulfonyl)phenyl]-

C21H28N6O4S
metabolites

422.49284.35

3,6,9-trimethyl- 3,12-epoxy-12H-pyra[4,3-j]1,2-benzodioxepin-10-ol; βDihydroartemisinin;

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mol_formulamol_weight(βR,δR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-

Simvastatinhydroxy Acid
Ammonium Salt

C25H43NO6
metabolites

Risperidone

426.48130049-85-3

trimethylmorpholine; 2-(3-Chlorophenyl)-3,5,5-

1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4one;

Clopidogrel(S)-α-(2-Chlorophenyl)-6,7-dihydrothie[3,2-carboxylic acid

C13H18ClNO2.HCl
metabolites

344.31c]pyridine-5(4H)-acetic Acid Hydrochloride; SR
26334 Hydrochloride;

144750-42-5

2S-cis)-5-[(Dimethylami)ethyl]-2,3-dihydro-3-

Desacetyl
Diltiazem

dihydroxy-2,6-dimethyl-1-naphthaleneheptaic

trimethyl-2-morpholil;(9R)-3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)C13H18ClNO2.HCl

metabolites

292.2

357399-43-0

9-Hydroxyoxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δAcid Ammonium Salt;
2-Hydroxy-2-(3’-chlorophenyl)-3,5,5-

C13H18ClNO2.HCl
metabolites

453.61139893-43-9

Hydroxy Bupropion

HCL

synonym

C20H24N2O3S
metabolites

42399-40-6

3-Ketodesogestrel

86541-78-8

17-hydroxy-11-methylidene2,6,7,8,9,10,12,14,15,16-decahydro-1Hcyclopenta[a]phenanthren-3-one;(3S)-3-[[(1S)-1-Carboxy-3-phenylpropyl]ami]-

C22H24N2O5
metabolites

324.46NA

Benazeprilathydroxy-2-(4-methoxyphenyl)-1,5benzothiazepin-4(5H)-one;(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-

C22H28O2
metabolites

372.48396.44

2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1acetic Acid-d5;

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mol_formulamol_weightsynonym
3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-

Paliperidone N-

C23H27FN4O4oxide
metabolites

761460-08-6

5-Hydroxy methyl
Tolterodine,

metabolites

442.48207679-81-0

oxido-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4one;

C22H31NO2

341.493-[(1R)-3-[Bis(1-methylethyl)ami]-1phenylpropyl]-4-hydroxybenzenemethal;[2S-[1[R*(R*)],2α,3aα,7aβ]]-Octahydro-1-[2-Trandolaprilat

C22H30N2O5
metabolites

87679-71-8

N-Desmethyl
Olanzapine

metabolites

161696-76-0

O-Desmethyl
Tramadolmetabolites

402.5

80456-81-1[[1-(methoxycarbonyl)-3-phenylpropyl]ami]-1oxopropyl]-1H-indole-2-carboxylic Acid;

C16H18N4S

298.40

C15H23NO2.HCl

285.81

2-methyl-4-(1-piperazinyl)-10H-Thie[2,3b][1,5]benzodiazepine3-[(rel-1R,2R)2-[(Dimethylami)methyl]-1hydroxycyclohexyl]phel Hydrochloride;5-[2-Ethoxy-5-[(4-methyl-1-

Thio Sildenafil

C22H30N6O3S
metabolites

479073-79-5

Clopidogrel
carboxylic acid

Rifampicin

metabolites

307.8

144457-28-3

Desacetyl
16783-99-6

piperazinyl)sulfonyl]phenyl]-1,6-dihydro-1methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidine7-thione;
rac-2-​(2-​
Chlorophenyl)​
-​
2-​
(6,​
7-​
dihydro-​4H-​

C15H14ClNO2S
metabolites

490.64thie[3,​2-​c]​pyridin-​5-​yl)​acetic Acid
Hydrochloride;

C15H14ClNO2S

780.9225-O-Deacetyl-3-[(E)-[(4-methyl-1piperazinyl)imi]methyl]rifamycin;

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mol_formulamol_weightsynonym2-[4-(4-Chlorobenzoyl)phexy]-2-methyl-

Fenofibrate

C20H21ClO4
metabolites

360.8349562-28-9

Lipoclar4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1HC35H38Cl2N8O5

Itraconazole

721.64112559-91-8

1,2,4-triazol-3-one;

O-Desmethyl
Venlafaxine

C16H25NO2.C4H6O4.H2O
399.48

Succinate Hydrate metabolites

386750-22-7

metabolites

66792-31-2

metabolites

76420-72-9

N-Desethyl
Oxybutynin

metabolites

80976-67-6

C21H36O5

368.51

C18H24N2O5

348.39

C18H24N2O5

365.89butanedioic acid;4-[2-(dimethylami)-1-(1hydroxycyclohexyl)ethyl]phel;hydrate(11α,13E)-11,16-Dihydroxy-16-methyl-9-oxoprost-13-en-1-oic Acid; Misoprostol Free Acid;
Enalapril Impurity C
α-Cyclohexyl-α-hydroxybenzeneacetic Acid 4(Ethylami)-2-butynyl Ester Hydrochloride Salt;(2S-cis)-3-(Acetyloxy)-2,3-dihydro-2-(4-N-Desmethyl
Diltiazemyl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4dihydro-2-(2-hydroxy-1-methylpropyl)-3H-

metabolites

Enalaprilat

Lipanthyl; Lipantil; Lipidil Supra; Lipirex;

1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-

Hydroxy

Misoprostol Acidpropaic Acid 1-Methylethyl Ester; LF 178;

C21H24N2O4S.HCl
metabolites

130606-60-9

436.96

methoxyphenyl)-5-[2-(methylami)ethyl]-1,5benzothiazepin-4(5H)-one Mohydrochloride;VIVAN社総販売店： オー・ジー株式会社
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mol_formulamol_weightsynonymγ-[4(Trifluoromethyl)phexy]benzenepropanamine

Norfluoxetine HCl

C21H24N2O4S.HCl

331.76

Hydrochloride; (+/-)-γ-[4(Trifluoromethyl)phexy]benzenepropanamine

metabolites

56296-78-7

Aceylated
Flupiritine

metabolites

57226-68-3

Lovastatin OH
Sodium salt

metabolites

75225-50-2

Hydrochloride
C14H15FN4O

274.3

C24H37O6 · Na444.54ethyl N-[2-ami-6-[(4fluorophenyl)methylami]pyridin-3-yl]carbamate
Lovastatin Sodium Salt; MB 530B; Mevilinic
Acid; Lovastatin EP Impurity B
5-(4-Fluorophenyl)-2-(1-methylethyl)-N,4-Atorvastatin

C33H33FN2O4

Lactonemetabolites

125995-03-1

Ramiprilat

olic acidmetabolites

388.2087269-97-4

Tauroursodeoxych
35807-85-3

diphenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy6-oxo-2H-pyran-2-yl]ethyl]-1H-pyrrole-3carboxamide;(2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-Carboxy-3-

C21H28N2O5
metabolites

540.62

phenylpropyl]ami]-1oxopropyl]octahydrocyclopenta[b]pyrrole-2carboxylic Acid;

C21H28N2O5

499.72

C21H28N2O5

409.472-[[(3α,5β,6α)-3,6-Dihydroxy-24-oxocholan24-yl]ami]ethanesulfonic Acid;

Prasugrel active
metabolite acetate
salt

metabolites

204204-98-8 free basePrasugrel active metabolite ,R138727

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mol_formulamol_weight(βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-

O-Hydroxy
Atorvastatin

C66H68CaF2N4O12

Calcium Salt

metabolites

265989-47-7

3,5-Xylenol

metabolites

108-68-91187.34

C8H10OC66H68CaF2N4O12
metabolites

122.167

metabolites

292055-72-2

Threo-Hydroxy
Bupropion HCl
5-OH Omeprazole

metabolites

153365-82-3

metabolites

92340-57-3

methylethyl)-3-phenyl-1H-pyrrole-1-heptaic

C₁₅H₂₃NO₂

249.35

C13H20ClNO.HCl

278.22

C13H20ClNO.HCl

278.22

C17H19N3O4S

361.421-[2-Ami-1-(p-methoxyphenyl)ethyl]cyclohexal;
(αS)​
-3-​
Chloro-​α-​[(1R)​
-​
1-​
[(1,​
1-​
dimethylethyl)​ami]​
ethyl]​-​
benzenemethal Hydrochloride;
rac threo-2-(tert-Butylami)-1-(3chlorophenyl)propan-1-ol Hydrochloride
4-Methoxy-6-[[(5-methoxy-1H-benzimidazol-2yl)sulfinyl]methyl]-5-methyl-3-pyridinemethal;
Dextrorphane; Dextrorphanum;D-3-Hydroxy-N-

Dextromethorphan

C17H23NO
metabolites

257.377

mono-desmethyl

C₂₁H₂₈ClNO₅
metabolites

294882-33-0

methylmorphinan; Levorphal d-form; Destrorfa[DCIT]

1426173-22-9

Nor-TrimebutineHCl

4-[[(4-hydroxyphenyl)ami]carbonyl]-5-(1Acid Hemicalcium Salt;
1-[2-Ami-1-(4-methoxyphenyl)ethyl]cyclohexal;

O-Desmethyl
Dextro Impurity B

3,5-dimethylphel

93413-77-5

Erythro-Hydroxy
metabolites

1187.34

265989-44-4

N-N-Didesmethyl

Bupropion HCl

methylethyl)-3-phenyl-1H-pyrrole-1-heptaic(βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-

Atorvastatin

Venlafaxine

4-[[(2-hydroxyphenyl)ami]carbonyl]-5-(1Acid Calcium Salt (21)P-Hydroxy
Calcium Salt

synonym409.9

3,4,5-Trimethoxybenzoic Acid 2-(Methylami)-2phenylbutyl Ester HydrochlorideVIVAN社総販売店： オー・ジー株式会社
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C21H27NO5.HCl
metabolites

Prednisone

409.91

84333-59-5

synonym2-phenylbutyl Ester Hydrochloride; NModesmethyltrimebutine Hydrochloride;2-Butyl-4-chloro-1-[[2’-(1H-tetrazol-5-yl)[1,1’-

Losartan carboxylic
acid

mol_weight

3,4,5-Trimethoxybenzoic Acid 2-(Methylami)-

N-Desmethyl
Trimebutine HCL

mol_formula

C22H21ClN6O2
metabolites
metabolites

436.90124750-92-1
53-03-2

biphenyl]-4-yl]methyl]-1H-imidazole-5carboxylic Acid;

C21H26O5

358.43

17,21-Dihydroxypregna-1,4-diene-3,11,20trione; 1,2-Dehydrocortisone;
α-[3-[[2-(3,4Dimethoxyphenyl)ethyl]ami]propyl]-3,4-Norverapamil HCl

C26H37ClN2O4

477.03

dimethoxy-α-(1-methylethyl)benzeneacetonitrile; Verapamil EP Impurity J

metabolites

67812-42-4

HCl;

N-

4-[(7-Chloro-4-quilinyl)ami]-2-

desethylamodiaqui
ne

C18H18ClN3O
metabolites

327.81[(ethylami)methyl]phel Hydrochloride;
Modesethylamodiaquine Hydrochloride;37672-04-2

Prasugrel
metabolite

4-[(7-Chloro-4-quilinyl)ami]-2-

derivative

C27H28FNO5S.HCl[(ethylami)methyl]phel Hydrochloride;
Modesethylamodiaquine Hydrochloride;

HCl(trans R138727MP)

534.03

metabolites

929211-64-3

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mol_formulamol_weightsynonym(4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-

N-Desmethyl

C16H19NO3

Galanthamine
metabolites

41303-74-6

Dehydrodeoxy
Donepezil(phenylmethyl)piperidine;1-Benzyl-4-(5,6dimethoxy-1H-2-indenylmethyl)piperidine

C15H19N3O2
metabolites

273.33139264-35-0yl]methyl-2-oxazolidine; 183C91; Zolmitriptan
USP Related Compound A
25-O-Deacetyl-1’,4-didehydro-1-deoxy-1,4-

C₄₄H₆₀N₄O₁₀
metabolites

804.97100324-63-8

dihydro-5’-(2-methylpropyl)-1-oxorifamycin
XIV;

N-

4-[(7-Chloro-4-quilinyl)ami]-2-

desethylamodiaqui
neef][2]benzazepin-6-ol; (-)-N-(4S)-4-[[3-[2-(Methylami)ethyl]-1H-indol-5-

Desacetyl
Rifabutene

399.7

120013-45-8

N-Desmethyl
Zolmitriptan

methoxy-6H-benzofuro[3a,3,2Demethylgalanthamine;4-[(5,6-Dimethoxy-1H-inden-2-yl)methyl]-1-

C24H29NO2.HCl
metabolites

273.33

C18H18ClN3O
metabolites

327.81[(ethylami)methyl]phel Hydrochloride;
Modesethylamodiaquine Hydrochloride;37672-04-1[8S-[8α,8(R*),10α]]-10-[(3-Ami-2,3,6-

Doxorubicinol

C27H31NO11
metabolites

545.5525316-40-9

dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11trihydroxy-1-methoxy-5,12-naphthacenedione;

o-Hydroxy(βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-

Atorvastatin

C₃₃H₃₈FN₂NaO₈

Dihydrate
Mosodium salt

trideoxy-α-L-lyxo-hexopyrasyl)oxy]-8-(1,2-

metabolites

1421760-64-6

632.654-[[(2-hydroxyphenyl)ami]carbonyl]-5-(1methylethyl)-3-phenyl-1H-pyrrole-1-heptaic
Acid Dihydrate Mosodium Salt;

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mol_formulamol_weightsynonym
1-[1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-

Montelucast acid

C₃₅H₃₅ClNNaO₃S
metabolites

158966-92-8

Rabeprazole
Sulfonemetabolites

117976-47-3

Rabeprazole
Sulfidemetabolites

117977-21-6

metabolites

54363-97-2

metabolites

16179-97-8

2-Pyridyl Acetic
Acid
2-Pyridyl Acetic
Acid HCl

608.17

quilinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1methylethyl)phenyl]propyl]thio]methyl]cyclopro
paneacetic Acid Sodium Salt;
2-[[[4-(3-Methoxypropoxy)-3-methyl-2-

C18H21N3O4S

375.44

C₁₈H₂₁N₃O₂S

343.44C7H7NO2

137.142-Pyridineacetic acid

C7H7NO2.HCl

173.592-Pyridineacetic acid hydrochloride

pyridinyl]methyl]sulfonyl]-1H-benzimidazole
2-[[[3-Methyl-4-(3-methoxypropoxy)-2pyridyl]methyl]thio]-1H-benzimidazole;

4-(1-Hydroxy-1-methylethyl)-2-propyl-1-[[2’-Olmesartan Acid

C24H26N6O3
metabolites

446.50144689-24-7(1H-tetazol-5-yl)[1,1’-biphenyl]-4-yl]methyl]1H-imidazole-5-carboxylic Acid; CS 088;

Prasugrel
2-[1-[2-Cyclopropyl-1-(2-fluorophenyl)-2-Metabolite (R-C18H18FNO2S

95913, Mixture of
Diastereomers)

Modafinil Acid

150322-38-6

metabolites

17298-37-2

metabolites

oxoethyl]-4-(methylthio)-3piperidinylidene]acetic Acid;

metabolites(R)-Propionyl
Carnitine

331.4163547-24-0

C10H19NO4

217.265

C15H14O3S

274.3

3-propayloxy-4-(trimethylazaniumyl)butaate
2-[(Diphenylmethyl)sulfinyl]acetamide; (±)Modafinil; 2-(Benzhydrylsulfinyl)acetamide;VIVAN社総販売店： オー・ジー株式会社
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Hydroxy Bupropion
HCL

metabolites

357399-43-0

Desmethyl
Sertraline
9-Trans Retinoic
Acidmetabolites

87857-41-8

metabolites

5300-03-8

mol_formulamol_weightsynonym

C13H18ClNO2.HCl

292.202-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholil

C16H15Cl2N

292.203

C20H28O

284.45(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4tetrahydronaphthalen-1-amine
9-Trans Retinoic Acid
(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1Carboxybutyl]ami]-1-oxopropyl]octahydro-1H-

Perindoprilat

C17H28N2O5

340.42indole-2-carboxylic Acid; [2S-[1[R*(R*)],2α,3aβ,7aβ]]-1-[2-[(1-Carboxybutyl)ami]-1oxopropyl]octahydro-1H-indole-2-carboxylic

metabolites

95153-31-4

metabolites

3147-64-6

6-Methoxysalicylic
Acid
Hydroxyhydrocinnamic Acid

metabolites

501-52-0

metabolites

1155843-61-0

N-Methyl
Pregabalin

Acid;
CH3OC6H3(OH)CO2H 168.15

2-Hydroxy-6-methoxybenzoic acid

C9H10O3

166.173-(4-hydroxyphenyl)propaic acid

C9H19NO2

173.25(3S)-5-methyl-3-(methylamimethyl)hexaic acid

D-L-Mevalonic
3,5-Dihydroxy-3-(methyl) Pentaic Acid

Acid

C18H35NO4

Dicyclohexylammo
nium Salt

metabolites

329.47

Dicyclohexylammonium Salt; Hiochic Acid
Dicyclohexylammonium Salt;

1215802-31-5

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6-OH Taxol

C15H25NO4
metabolites

110458-46-3

metabolites

153212-75-0

metabolites

C47H51NO15

869.9
537.11

197431-02-0

α-(methoxymethyl)-benzenemethan- ol; H
6α-hydroxy Taxo​l(butylami)propoxy]benzoyl]-5-benzofuranyl]methanesulfonamide Hydrochloride; SR 35021;
N-[2-Butyl-3-[4-[3-C₂₇H₃₇ClN₂O₅S
metabolites

metabolites

537.11NA

Des Methyl
Rizatriptan

283.37

119/66; α-Hydroxymetoprolol;

C₂₇H₃₇ClN₂O₅S

N-ButylDronedarone

synonymN-[2-Butyl-3-[4-[3-Desbutyl
Dronedarone

mol_weight4-[2-Hydroxy-3-[(1-methylethyl)ami]propoxy]-Alpha -Hydroxy
Metoprolol

mol_formula

144034-84-4(butylami)propoxy]benzoyl]-5-benzofuranyl]methanesulfonamide Hydrochloride;

C14H17N5

255.325

N-methyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1Hindol-3-yl]ethanamine
N-[4-(4-Fluorophenyl)-6-(1-methylethyl)-5-

Rosuvastatin

C22H26FN3O5S

Lactonemetabolites

503610-43-3trans-Hydroxy
Glimepiride[(1E)-2-[(2S,4R)-tetrahydro-4-hydroxy-6-oxo2H-pyran-2-yl]ethenyl]-2-pyrimidinyl]-Nmethyl-methanesulfonamide;
3-Ethyl-2,5-dihydro-N-[2-[4-[[[[[trans-4-

C₂₄H₃₄N₄O₆S
metabolites

463.52506.61600177-94-4(hydroxymethyl)cyclohexyl]ami]carbonyl]ami]su
lfonyl]phenyl]ethyl]-4-methyl-2-oxo-1Hpyrrole-1-carboxamide;(1R,3S,5Z)-4-Methylene-5-[(2E)-2[(1R,3aS,7aR)-octahydro-1-[(1R,2E)-5-hydroxy-

1-Alpha-25(OH)2

C28H44O3

Vitamin D2

428.65

1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4Hinden-4-ylidene]ethylidene]-1,3-

metabolites

60133-18-8

cyclohexanediol;VIVAN社総販売店： オー・ジー株式会社
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namecategory

cas_number

mol_formulamol_weight

10,11-Dihydro-10-

10,11-Dihydro-10-hydroxy-5H-

Hydroxy
Carbamazepine

C15H14N2O2
metabolites

metabolites

254.2953467-23-5

C20H24N2O3

340.43

N-Monodesmethyl
Rizatriptan
Benzoate

C14H17N5 . C7H6O2 377.45
metabolites

144034-84-4

Lovastatin OH
Ammonium salt

metabolites

77550-67-5

C25H22FNO3
metabolites

17-Beta-Estradiol

metabolites
metabolites

53467-23-5
50-28-2(3R)-Hydroxyquinine
N-Methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1Hindole-3-ethanamine
Lovastatin Sodium Salt; MB 530B; Mevilinic
Acid; Lovastatin EP Impurity B

403.46

fluorophenyl)quilin-3-yl]ethenyl]-4hydroxyoxan-2-one

C20H24N2O3

340.43

C18H24O2

272.38(9S)-6’-Methoxy-Cinchonan-3,9-diol; (3S)Hydroxyquinidine; 3-Hydroxyquinidine;
Dihydrofolliculin; (17β)-Estra-1,3,5(10)-triene3,17-diol; 3,17-Epidihydroxyestratriene; Cimara;5-[[4-[2-(5-Acetyl-2-

Keto Pioglitazone
M-III

439.58141750-63-2(3S)-3-Hydroxy
Quinidine

C24H41NO6(3α,8α,9R)- 6’-methoxycinchonan-3,9-diol;(4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-Pitavastatin
Lactonedibenz[b,f]azepine-5-carboxamide; 10Hydroxy-10,11-dihydrocarbamezepine;

29331-92-8(3R)-3-Hydroxy
Quinidinesynonym

C19H18N2O4S
metabolites

146062-45-5

370.42pyridinyl)ethoxy]phenyl]methyl]2,4thiazolidinedione; Keto-Pioglitazone (M-III);VIVAN社総販売店： オー・ジー株式会社
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cas_number

mol_formulamol_weightsynonym3-[3-[[[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-

N-Desmethyl

C26H34N2O5 . HCl

Ivabradine HCL
metabolites

1246638-08-3

Dexmethyl
phenidate HCl
2-OH Desipramine
SN 38

metabolites
metabolites
metabolites

491.03

19262-68-1
1977-15-7
86639-52-3

1,3,5-trien-7-yl]methyl]ami]propyl]-1,3,4,5tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2one;

C14H20ClNO2

269.769

C18H22N2O

282.39

C22H20N2O5

392.4

methyl (2R)-2-phenyl-2-[(2R)-piperidin-2yl]acetate;hydrochloride
10,11-Dihydro-5-[3-(methylami)propyl]-5Hdibenz[b,f]azepin-2-ol;(4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyra[3’,4’6,7]indolizi[1,2-b]quiline-3,14(4H,12H)dione;
N-[4-Methyl-3-[[4-(3-pyridinyl)-2-N-desmethyl

C₂₈H₂₉N₇O

Imatinib
metabolites

479.58404844-02-6

pyrimidinyl]ami]phenyl]-4-(1piperazinylmethyl)-benzamide; N-Desmethyl
Gleevec; CGP-74588;

4-Hydroxy1-[(4-Methoxy-1-naphthalenyl)oxy]-3-[(1-Propranolol

C16H20NO6S.K

Sulphate
Potassium Salt

metabolites

metabolites

methylethyl)ami]-2-propal; 1-(Isopropylami)-3[(4-methoxy-1-naphthyl)oxy]-2-propal

1261395-42-9

7-Hydroxy
Methotrexate393.505939-37-7

C20H22N8O6

470.447-Hydroxy Amethopterin, 4-Ami-7-hydroxy-10methylpteroylglutamic Acid;(8R,9S,10R,13S,14S,17R,Z)-13-Ethyl-17-

17-Desacetyl

C21H29NO2

Norgestimate
metabolites

74183-54-3

327.46ethynyl-17-hydroxy6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro1H-cyclopenta[a]phenanthren-3(2H)-one

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namecategory

cas_number

mol_formulamol_weightsynonym

Pilocarpic Acid
[S-(R*,S*)]-α-Ethyl-β-(hydroxymethyl)-1-

Sodium Salt

C11H17N2O3 . Na

(mixture ofdiastereomers)

metabolites

248.25methyl-1H-Imidazole-5-butaic Acid Mosodium
Salt; Sodium Pilocarpate;92598-79-3
3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6[(2S,3R,4S,6R)-4-(dimethylami)-3-hydroxy-6methyloxan-2-yl]oxy-14-ethyl-12,13,14-

14 (R) Hydroxy

C38H69NO14

Clarithromycin

763.95trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4methoxy-4,6-dimethyloxan-2-yl]oxy-7methoxy-3,5,7,9,11,13-hexamethyl-

metabolites

116836-41-0

Prothionamide
Sulfoxide

C9H12N2OS
metabolites

2-Propyl-4-pyridinecarbothioamide S-Oxide; 2Propylthioisonicotinamide S-Oxide
2-Ethyl-4-pyridinecarbothioamide S-Oxide; 2-

C8H10N2OS
metabolites

metabolites

182.25536-28-7

Butylated Hydroxy
Toluene196.2762178-61-4

Ethionamide
Sulfoxide

oxacyclotetradecane-2,10-dione
2-Propyl-α-sulfinyl-4-pyridinemethanamine;

128-37-0

Ethylthioisonicotinamide S-Oxide; EthionamideS-oxide;

C15H24O

220.352,6-Di-tert-butyl-4-methylphel, 2,6-Di-tertbutyl-p-cresol, BHT,

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namecategory

cas_number

mol_formulamol_weightsynonym(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b(Acetyloxy)-12-(benzoyloxy)-10-deacetyl

C₂₉H₃₆O₁₀

Baccatin

544.59

1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl7,11-metha-5H-cyclodeca[3,4]benz[1,2-b]oxet-

metabolites

32981-86-5

Trans-Hydroxy

C₂₄H₃₄N₄O₆S

Glimepiride
metabolites

600177-94-4

metabolites

86384-10-3

metabolites

55555-97-0

5-Hydroxy
Propafenone

lfonyl]phenyl]ethyl]-4-methyl-2-oxo-1H-

393.90(propylami)propoxy]phenl]-3-phenyl-1-propane
Hydrochloride; GPV 129;

C21H28O3

C21H28ClNO4
metabolites

328.46393.90102059-10-96β-Hydroxy Levorgestrel 17-Acetate(propylami)propoxy]phenl]-3-phenyl-1-propane
Hydrochloride
N-Methyl-α-[2-(1-N-Desmethyl
Dapoxetine(hydroxymethyl)cyclohexyl]ami]carbonyl]ami]su

1-[4-Hydroxy-2-[2-hydroxy-3-

4- hydroxy
propafene

506.61pyrrole-1-carboxamide;
1-[5-Hydroxy-2-[2-hydroxy-3C21H28ClNO4

6-Beta Hydroxy
norgestrel

5-one;
3-Ethyl-2,5-dihydro-N-[2-[4-[[[[[trans-4-

C₂₀H₂₂ClNO
metabolites

327.85119357-18-5

naphthalenyloxy)ethyl]benzenemethanamine
Hydrochloride;N-[4-[(4-Amiphenyl)sulfonyl]phenyl]-

Moacetyl Dapsone

C14H14N2O3S
metabolites

565-20-8290.34

acetamide; Acetyldapsone; MADDS;
Moacetyldapsone;VIVAN社総販売店： オー・ジー株式会社
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cas_number

mol_formulamol_weightsynonym(3R,4R,5S)-4-(Acetylami)-5-ami-3-(1-Oseltamavir Acid

C14H24N2O4
metabolites

284.35187227-45-8ethylpropoxy)-1-cyclohexence-1-carboxylic
Acid; Oseltamivir Carboxylic Acid;
Synmyn[2S(2R*,16Z,18E,20R*,21R*,22S*,23S*,2
4S*,25R*,26S*,27R*,28E)]-25-(Acetyloxy)5,21,23-trihydroxy-27-methoxy-

Dehydro Rifaximin

C43H49N3O11

783

2,4,11,16,20,22,24,26-octamethyl-6H-27(epoxypentadeca[1,11,13]trienitrilo)benzofuro[4,5-e]pyrido[1,2-a]benzimidazole-1,6,15(2H)-

metabolites

80621-76-7

metabolites

257892-31-2

N-Desmethyl
Rosiglitazone

C₁₇H₁₇N₃O₃S

Fosinoprilat

435.5

95399-71-6

Desmethyl
metabolites

343.4

586357-02-0

Pyridinylami)ethoxy]phenyl]methyl]-2,4thiazolidinedione; SB 237216;(4S)-4-Cyclohexyl-1-[[hydroxy(4-C23H34NO5P
metabolites

Mebeverine Acidtrione;5-[[4-[2-(2-phenylbutyl)phosphinyl]acetyl]-L-proline;trans-4-Cyclohexyl-1-[[hydroxy(4phenylbutyl)phosphinyl]acetyl]-L-proline;

C15H23NO3

265.364-[Ethyl[2-(4-hydroxyphenyl)-1methylethyl]ami]butaic Acid;(6R,12aR)-6-(1,3-Benzodioxol-5-yl)-

Demethyl Tadalafil

C21H17N3O4
metabolites

171596-36-4

2,3,6,7,12,12a-hexahydropyrazi[1’,2’
1,6]pyrido[3,4-b]indole-1,4-dione;
4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-

Hydroxy
Iloperidone P88

375.384

C₂₄H₂₉FN₂O₄
metabolites

133454-55-4

428.5

piperidinyl]propoxy]-3-methoxy-αmethylbenzenemethal; P 88; P 88-8991;

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namecategory

cas_number

C26H27N5O6S
metabolites

metabolites

metabolites

427.4680210-62-4
135459-87-9
147009-08-3

oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-

C₁₂H₁₀N₂O₈S

342.29C14H19N3O

245.3265-[Bis(carboxymethyl)ami]-2-carboxy-4-cya-3thiopheneacetic Acid;(6R)-6-ami-6,7,8,9-tetrahydro-5H-carbazole-3carboxamide;methane(E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-

Rosuvastatin Na

C21H24FN3O6S.2Na 511.47
metabolites

371775-74-5

Pyridostigmine

Dehydro Nifedipine(methoxyimi)acetyl]ami]-3-(methoxymethyl)-8carboxylic Acid;

N-Desmethyl

Metabolite

Dichlorophenyl)-1-piperazinyl]butoxy]-2(1H)quiline;(6R,7R)-7-[[(2Z)-2-(2-Ami-4-thiazolyl)-2-

C15H17N5O6S2

metabolites

446.37129722-25-4

Des-Methyl

Salt

5-(2-hydroxyphexy)[2,2’-bipyrimidin]-4yl]benzenesulfonamide;

C23H25N3O2Cl2

metabolites

Frovatriptan

synonym

OPC 14857; DM 14857; 7-[4-[4-(2,3-Cefpodoxime Acid

Ranelic Acid

537.59147536-97-8

DehydroAripiprazole

mol_weight

4-(1,1-Dimethylethyl)-N-[6-(2-hydroxyethoxy)-

Phenol Metaboliteof Bosentan

mol_formulametabolites
metabolites

155-97-5
67035-22-7mesylamipyrimidin-5-yl]-(3R,5S)dihydroxyhept-6-eic Acid Disodium Salt
Mohydrate;

C6H8NO. Br

110.14 79.90

C17H16N2O6

344.32(1-methylpyridin-1-ium-3-yl) N,Ndimethylcarbamate
2,6-Dimethyl-4-(2-nitrophenyl)-3,5pyridinedicarboxylic Acid 3,5-Dimethyl Ester;VIVAN社総販売店： オー・ジー株式会社
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namecategory

cas_number

C26H27N5O6S
metabolites

Lercanidipine

metabolites

92458-44-1

metabolites

10417-94-4

metabolites

5054-59-1

Eicosapentaeic
4-HydroxyThalidomide
4-Hydroxy
Propranolol HCL

metabolites

645

887769-34-8

Deschloro

Acidsynonym14133-90-55-(2-hydroxyphexy)[2,2’-bipyrimidin]-4yl]benzenesulfonamide;
2,6-Dimethyl-4-(3-nitrophenyl)-3,5-

C36H39N3O6.HCl
metabolites

537.6

253688-61-8

DehydroAtovaquone

mol_weight

4-(1,1-Dimethylethyl)-N-[6-(2-hydroxyethoxy)-

Desmethyl
Bosentanmol_formulapyridinedicarboxylic Acid 3-[2-[(3,3Diphenylpropyl)methylami]-1,1-dimethylethyl]
5-Methyl Ester;C22H20O3

332.39

C20H30O2

302.45

C13H10N2O5

274.232

C16H21NO3.HCl

311.80trans-2-Hydroxy-3-(4-phenylcyclohexyl)-1,4naphthalenedione;
5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17Eicosapentaeic Acid; (all-Z)-5,8,11,14,17Eicosapentaeic Acid;
2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole1,3-dione
4-[2-Hydroxy-3-[(1-methylethyl)ami]propoxy]1-naphthalel Hydrochloride(11β,17β)-17-Hydroxy-11-[4-N-Desmethyl

C28H33NO2

Mifepristone
metabolites

104004-96-8

metabolites

1242137-16-1

N desmethyl
Enzalutamide

415.57(methylami)phenyl]-17-(1-propyn-1-yl)-estra4,9-dien-3-one; N-Desmethyl-RU 486; RU
42633;
4-​
[3-​
[4-​
Cya-​
3-​
(trifluoromethyl)​
phenyl]​
-​
5,​
5-​

C₂₀H₁₄F₄N₄O₂S

450.41

dimethyl-​
4-​
oxo-​
2-​
thioxo-​1-​
imidazolidinyl]​-​2-​fluorobenzamide

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cas_number

C₂₀H₁₄F₄N₄O₂S
metabolites

metabolites

metabolites
metabolites

metabolites

126663-38-5
66164-07-6

Hydroxy-2,6-dioxo-3-piperidinyl)-1H-Isoindole1,3(2H)-dione;

C13H10N2O5

274.24

C28H31ClN2O2

463.012-(1-hydroxy-2,6-dioxopiperidin-3-yl)isoindole1,3-dione
4-(4-Chlorophenyl)-4-hydroxy-N-methyl-α,αdiphenyl-1-piperidinebutanamide; R 20905;
2-[5-(4-Hydroxyphenyl)-3,6-dioxo-2-

C16H19N3O5S
metabolites
metabolites

365.4194659-47-94685-07-8

piperazinyl]-5,5-dimethyl-4thiazolidinecarboxylic Acid;

C6H8NO+

110.134

1-(2,4-Dinitrophenyl)-3,4-dimethyl-pyridinium
Chloride(1E,6E)-1-(4-Hydroxy-3-methoxyphenyl)-7-[3-C21H20O9S
metabolites

448.44339286-19-0

methoxy-4-(sulfooxy)phenyl]-1,6-heptadiene3,5-dione Tetrabutylammonium Salt;
N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-

4-Methylamino
Antipyrine

274.245054-59-1

CurcuminSulphate

4,9-dien-3-one; RU 42698;
C13H10N2O53-hydroxy-NMethyl Pyridiniumhydroxy-17-(3-hydroxy-1-propyn-1-yl)-estracis-5-Hydroxy-3-phthalimidoglutarimide; 2-(5-Amoxicillin
Diketopiperazine

445.61105012-15-5

N-Desmethyl
Loperamide(phenylmethyl)propanamide; N-Acetyl-DSerine Benzyl Amide;

C₂₀H₁₄F₄N₄O₂S

N-HydroxyThalidomide

synonym(11β,17β)-11-[4-(Dimethylami)phenyl]-17-

3-HydroxyThalidomide

236.27175481-38-6

Hydroxy
Mifepristone

mol_weight(2R)-2-(Acetylami)-3-hydroxy-N-

Desmethyl
Lacosamide

mol_formula

C21H20O9S
metabolites

519-98-2

217.27

1H-pyrazol-4-yl)acetamide; 4-(NAcetylami)antipyrine

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mol_formulamol_weight(E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-

N-Desmethyl
Rosuvastatin
calcium Salt

C21H24FN3O6S.1/2Ca485.53
metabolites

371775-74-5 (acid)

Deacetyl
Colchicine

synonymmetabolites

3476-50-4

C20H23NO5

mesylamipyrimidin-5-yl]-(3R,5S)dihydroxyhept-6-eic Acid Disodium Salt
Mohydrate;

357.4

7-ami-1,2,3,10-tetramethoxy-6,7dihydrobenzo[a]heptalen-9(5H)-one;(8S,10S)-10-[(3-Ami-2,3,6-trideoxy-α-L-lyxo-

Daurubicinol

C27H31NO10
metabolites

54193-28-1

metabolites

62-99-7

6-Hydroxy
Testosterone

trihydroxy-8-[1-hydroxyethyl]-1-methoxy-5,12-304.43

10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17dodecahydrocyclopenta[a]phenanthren-3-one
1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-

C₂₁H₂₄O₆
metabolites
metabolites

372.4136062-04-1

Octahydro
Curcuminhexopyrasyl)oxy]-7,8,9,10-tetrahydro-6,8,11naphthacenedione Hydrochloride;(6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-

C19H28O3

Tetrahydrocurcumin529.5536062-07-4

heptanedione; HZIV 81-2; NSC 687845;
Sabiwhite; Tetrahydrodiferuloylmethane

C21H28O6

376.44

1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5heptanediol(8R,9S,10R,13S,14S,17R,Z)-13-Ethyl-17-

3-KetoC23H30O3

norgestimate
metabolites

18290-31-8

metabolites

73310-11-9

Docosahexaenoic
Acid ethyl ester

354.48ethynyl-17-hydroxy6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro1H-cyclopenta[a]phenanthren-3(2H)-one(all-Z)-4,7,10,13,16,19-Docosahexaeic Acid

C24H36O2

356.55Ethyl Ester; Cervonic Acid Ethyl Ester; Ethyl(all-Z)-4,7,10,13,16,19-Docosahexaeate;

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Eicosapentaenoic
Acid Ethyl Ester

metabolites

86227-47-6

C₂₂H₃₂O₂
metabolites

synonym
Ethyl Eicosapentaeate; Timdonic Acid Ethyl
Ester; cis-Eicosapentaeic Acid Ethyl Ester;

328.49metabolites

120013-56-1

metabolites

355841-11-1

Desbutyl

DHA; Cervonic Acid; Doconexent; Maril D
50TG; Ropufa 60; AlgaMac 3050
1-Benzyl-4-[(6-hydroxy-5-methoxy-1-oxo-

C23H27NO3

Donepezil

365.48indan-2-yl)methylpiperidine; 2,3-Dihydro-6hydroxy-5-methoxy-2-[[1-(phenylmethyl)-4piperidinyl]methyl]-1H-inden-1-one;(Z)-Desbutyl-benflumetol; (9Z)-α-C26H24Cl3NO

472.83[(Butylami)methyl]-2,7-dichloro-9-[(4chlorophenyl)methylene]-9H-fluorene-4-methal
rac FTY720 Phosphate; 1,​
3-​
Propanediol, 2-​
ami-​
2-​
[2-​
(4-​
octylphenyl)​
ethyl]​-​, 1-​(dihydrogen

Fingolimod

C26H24Cl3NO

Phosphate HCl

423.92

phosphate) hydrochloride; 2-Ami-2-[2-(4octylphenyl)ethyl]-1,3-propanediol 1-

metabolites

1348803-59-7

Dehydro Lacidipine(Dihydrogen Phosphate);E)-4-[2-[3-(1,1-Dimethylethoxy)-3-oxo-1C26H31NO6

metabolites

61337-68-6

prphenyl]-2,6-dimethyl-3,5 pyridinedicarboxylic Acid Diethyl Ester; GR
510922qopenyl];
1,2,3,4,10,14b-hexahydro-pyrazi[2,1-

C16H17N3.HCl
metabolites

453.54130996-24-6

Desmethyl
Mirtazapine

330.50‎6217-54-5

6-O-Desmethyl

Lumefrantine

C22H34O2

mol_weight(all-Z)-4,7,10,13,16,19-Docosahexaeic Acid;

Docosahexaenoic
Acidmol_formula251.3a]pyrido[2,3-c][2]benzapine Ndemethylmirtazapine;

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namecategory

cas_number

Fingolimod
Phosphatemetabolites

402615-91-2

C15H12N2O2
metabolites

36507-30-9

1-Methoxy Decane metabolites

68989-91-34-oxo-Retinoic acid

C19H34NO5P

mol_weight387.45synonym2-ami-2-(hydroxymethyl)-4-(4octylphenyl)butyl dihydrogen phosphate
1a,10b-Dihdyro-6H-

Carbamazepine
10,11-epoxide

mol_formulametabolites

38030-57-8

252.27dibenzo[b,f]oxire[d]azepine-6-carboxamide;
10,11-Dihydro-10,11-epoxycarbamazepine;

C11H24O

172.31

C20H26O3

314.42-methoxy-; Decyl methyl ether;
4-Ketoretiic acid; 4-oxo-Tretiin; All-trans-4oxoretiic acid;4-[Ethyl[2-(4-methoxyphenyl)-1-

Mebeverine

C16H27NO2

Alcoholmetabolites

14367-47-6

9-Cis-Retinoic Acid

Ester

metabolites

300.425300-03-8

Docosahexoic acid
2566-90-7

methylethyl]ami]-1-butal; 4-[Ethyl[2-(pmethoxy-α-phenyl)-1-methylethyl]ami]-1butal;(2E,4E,6Z,8E)-3,7-Dimethyl-9-(2,6,6-

C20H28O2
metabolites

265.4

trimethylcyclohex-1-enyl)na-2,4,6,8-tetraeic
Acid; 9-cis-Tretiin;

C23H34O2

342.51

methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa4,7,10,13,16,19-hexaeate(8S,10S)-7,8,9,10-tetrahydro-6,8,10,11-

Doxorubicine

C21H18O9
metabolites

4-Oxo Alitritionin

25316-40-9

metabolites

71748-58-8

metabolites

128915-56-0

N-Desmethyl
Asenapine

414.36

tetrahydroxy-8-(2-hydroxyacetyl)-1-methoxy5,12-naphthacenedione; Adriamycin Aglycone;

C20H26O3

314.425

C16H15Cl2NO

308.202(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl3-oxocyclohexen-1-yl)na-2,4,6,8-tetraeic acid
Desmethyl asenapine

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namecategory

cas_number

mol_formulamol_weightsynonym

C15H25NO2

251.374-[2-[Ethyl(4-hydroxybutyl)ami]propyl]phel

C20H26O3

314.425

C16H25NO3

279.38Desmethyl
Mebeverine
Alcohol
4-OXO-Isotritionine
Mebeverine Acid

metabolites

metabolites
metabolites

155172-67-1
71748-58-8
475203-77-1

DM-3411
C25H27N3O3S
metabolites

4-[ethyl-[1-(4-methoxyphenyl)propan-2yl]ami]butaic acidyl)oxy]butyl}piperazin-1-yl)-1H-1-benzothiophen-1ium-1-olate;1-[3-[4-Ami-3-(4-phexyphenyl)-1HC₂₅H₂₆N₆O₄
metabolites

1654820-87-7

metabolites

18913-84-3

Desmethyl
Selegeline

449.56913611-97-9

Dihydrodiol
Ibrutinib

3-oxocyclohexen-1-yl)na-2,4,6,8-tetraeic acid

4-(4-{4-[(2-oxo-1,2-dihydroquilin-7-(metabolite of
brexpiprazole)(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-474.51pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]2,3-dihydroxypropan-1-one;

C12H15N

173.2591-phenyl-N-prop-2-ynylpropan-2-amine
7-[(4aS,7aS)-1-sulfo-3,4,4a,5,7,7a-hexahydro-

Moxifloxacin-n-

C21H24FN3O7S

sulfphatemetabolites

234080-64-9

3- Alpha-Hydroxy
Tibolone
100239-44-9

2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6fluoro-8-methoxy-4-oxoquiline-3-carboxylicacid(3R,7R,8R,9S,13S,14S,17R)-17-ethynyl-7,13-

C21H30O2
metabolites

481.49314.46

dimethyl-2,3,4,6,7,8,9,11,12,14,15,16dodecahydro-1H-cyclopenta[a]phenanthrene3,17-diol;VIVAN社総販売店： オー・ジー株式会社
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namecategory

cas_number

mol_formulamol_weightsynonym(1S,3S,5S)-2-[(2S)-2-ami-2-(3,5-5-Hydroxy

C18H25N3O3

Saxagliptin
metabolites

331.42841302-24-7

Azabicyclo[3.1.0]hexane-3-carbonitrile; BMS
510849;4-Hydroxy-N-

4-[(E/Z)-1-[4-[N-Boc-2-

Desmethyl Tamoxifen

dihydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-2-

C₃₀H₃₅NO₄
metabolites

473.6(methylami)ethoxy]phenyl]-2-phenyl-1-buten1-yl]phel

125618-41-9(8S,10S)-8-[(1S)-1,2-Dihydroxyethyl]-7,8,9,10-

Doxorubicinolone

C21H20O9
metabolites

416.3924385-10-2

5,12-naphthacenedione;(2S,3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-(+)-βDihyrotetrabenazine

C19H29NO3
metabolites

319.44924854-60-4
C19H29NO3

metabolites
metabolites
metabolites

319.43NA
154229-18-2

dimethoxy-3-(2-methylpropyl)-2Hbenzo[a]quilizin-2-ol;

85081-18-1

Abiraterone
Acetatebenzo[a]quilizin-2-ol; (2S,3R,11bR)-(2R,3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-

Dihyrotetrabenazin

Hydroxy Ropinirole

dimethoxy-3-(2-methylpropyl)-2HDihydrotetrabe(+)-αetetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-

C16H24N2O2

276.37

C26H33NO2

391.554-(2-(dipropylami)ethyl)-1-hydroxyindolin-2one(3β)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol
Acetate (Ester);VIVAN社総販売店： オー・ジー株式会社
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namecategory

cas_number

mol_formulamol_weightsynonym[(8R,9S,10R,13S,14S)-10,13-dimethyl-17-

Abiraterone

C24H31NO4S

Sulphate
metabolites

NA

Tazarotenic Acid

1H-cyclopenta[a]phenanthren-3-yl] hydrogenbenzothiopyran-6-yl)ethynyl]-3pyridinecarboxylic Acid;
6-[2-(3,4-Dihydro-4,4-dimethyl-2H-1-

C20H19NO2S
metabolites

1332579-70-0

metabolites

186204-32-0

Lurasidone
metabolite 14283

323.41118292-41-4

Tazarotenic Acid
Methyl Ester

pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydrosulfate
6-[2-(3,4-Dihydro-4,4-dimethyl-2H-1-

C19H17NO2S
metabolites

429.57337.43benzothiopyran-6-yl)ethynyl]-,3Pyridinecarboxylic Acid Methyl Ester

C28H36N4O3S

508.69Naltrexol;6b-Naltrexo;6-Naltrexol;a-Naltrexol;6-

6 Beta Naltrexol

C20H25NO4
metabolites

49625-89-0

Didemethyl
clomipramine

metabolites

62724-32-7

11-O-Sulphate
Asenapine

metabolites

1399103-21-9

Lurasidone
metabolite 14326

metabolites

343.42186204-33-1

Hydroxynaltrexone;
C₁₇H₁₉ClN₂

286.8

C17H16ClNO5S

381.83064

C28H36N4O3S

508.69

C18H23NaO5S

374.4317 beta estradiol
sulphate sodium
salt

metabolites

4999-79-5

β-Naltrexol HCl;6-Hydroxynaltrexone;6b3-​
Chloro-​10,​11-​dihydro-5H-​dibenz[b,​f]​azepine-​5-​
propanamine
Asenapine O-sulfate;Asenapine 11Hydroxysulfate
5α/6α-Hydroxy Lurasidone;Lurasidone
metabolite 14326;
2-((8R,9S,13S,14S,17S)-17-Hydroxy-13methyl-3-oxido-7,8,9,11,12,13,14,15,16,17decahydro-6H-cyclopenta[a]phenanthren-4yl)acetate

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cas_number

mol_weight

C18H22O2
metabolites

270.3723392-54-3

Estra-1,3,5(10),8-tetraene-3,17β- diol; 17β8,9-Dehydroestradiol; 17β-8-Dehydroestradiol;

17 beta 8,9(17β)-Estra-1,3,5(10),8-tetraene-3,17-diol;

Dehydro estradiol
Na sulphatesynonym(17β)-Estra-1,3,5(10),8-tetraene-3,17-diol;

17 beta 8,9dehydro estradiol

mol_formula

C18H21NaO5S
metabolites

372.41

Estra-1,3,5(10),8-tetraene-3,17β- diol; 17β8,9-Dehydroestradiol; 17β-8-Dehydroestradiol;61612-83-7

3-Hydroxyestra-1,3,5(10),8-tetraen-17-one; ∆8,9 dehydroestrone

C18H20O2
metabolites

268.35474-87-3

Dehydroestrone;

8,9 dehydroestrone

3-(Sulfooxy)-estra-1,3,5(10),8-tetraen-17-one

sulphate sodium
salt

C18H19O5SNa
metabolites

Sulfate;C₂₅H₃₃FO₆
metabolites

metabolites

270.373563-27-7

Olsalazine oNAmethyl-17-(1-oxopropoxy)pregna-1,4-diene3,20-dione; Betamethasone 17α-Propionate;(17β)-Estra-1,3,5(10),7-tetraene-3,17-diol;

C18H22O2
metabolites

448.525534-13-4

Dihydroequilin

Estra-1,3,5(10),7-tetraene-3,17β-diol; 7Dehydroestradiol; NSC 12170; βDihydroequilin;

C14H10N2O9S

382.3

5-[(2E)-2-(3-carboxy-4-oxocyclohexa-2,5-dien1-ylidene)hydrazinyl]-2-sulfooxybenzoic acid(11β,16β)-9-Chloro-11,17-dihydroxy-16-

Beclomethasone
21 propionate

Sodium Salt;∆8,9-Dehydroestrone Sodium(11β,16β)-9-Fluoro-11,21-dihydroxy-16-

17 betasulphide

370.4

61612-83-7

Betamethasone 17
propionate

8-Dehydroestrone; ∆8-Isoequilin; 8,9-

C₂₅H₃₃ClO₆
metabolites

69224-79-9

464.98methyl-21-(1-oxopropoxy)-pregna-1,4-diene3,20-dione;

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namecategory

cas_number

mol_formulamol_weightsynonym
3-(Cyclopropylmethoxy)-N-(3,5-dichloro-1-

Roflumilast N oxide

C17H14Cl2F2N2O4
metabolites

292135-78-5(difluoromethoxy)benzamide;(3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-2-(3,4C21H24F2N6O3S

Ticagrelor

478.52NA

Betamethasone 21

dioxol-4-ol(11β,16β)-9-Fluoro-11,17-dihydroxy-16C₂₅H₃₃FO₆

metabolites

448.5275883-07-7(2S)-Isopropyl 2-(((((2R,3R,4R,5R)-5-(2,4-

metabolite

C10H13FN2O5
metabolites

260.22(αS)-α-[[4-(Hydroxymethyl)-6-methyl-2C22H22N2O5
metabolites

1106685-66-8

metabolites

NA

Abiraterone N

394.42pyrimidinyl]oxy]-β-methoxy-βphenylbenzenepropaic Acid

C24H31NO2

365.52(S)-2-(((S)-(((2R,3R,4R,5R)-5-(2,4-Dioxo-3,4-

Sofosbuvir
metabolite GS
566500Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro3-hydroxy-4-methyltetrahydrofuran-2

863329-66-2

4 hydroxy methyl

oxide

methyl-21-(1-oxopropoxy)pregna-1,4-diene3,20-dione;

Sofosbuvir

ambrisentan

3H-1,2,3-triazolo[4,5-d]pyrimidin-3yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-

metabolites

GS331007

oxido-4-pyridinyl)-4-

Difluorophenyl)cyclopropyl]ami]-5-(propylthio)-

Desethoxy hydroxy

propionate

419.2

C13H19FN3O9P
metabolites

1233335-78-8

411.28dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy4-methyltetrahydrofuran-2yl)methoxy)(phexy)phosphoryl)ami)propaic

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Desmethyl
clomipramine

metabolites

NA

C18H22Cl2N2

mol_weight337.29C12H15N3O3S
metabolites

281.3354029-12-8

3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin11-yl)-N-methylpropan-1-amine;hydrochloride
Albendazole Impurity B (EP), Albendazole EP
Impurity B;Albendazole EP Impurity B ;Carboxylic acid4-[3-[4-Cya-3-(trifluoromethyl)phenyl]-5,5-

Enzalutamide
metabolitesynonym

Albendazole Oxide, Ricobendazole, RS-8852,

Albendazole
sulfoxide

mol_formula

C20H13F4N3O3S
metabolites

451.39dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2fluoro-benzoic Acid

1242137-15-0(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2Ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-

Decladisyl

C₃₀H₅₈N₂O₉Azithromycin
117693-41-1

O-desmethyl

Clozapine N oxide

metabolites
metabolites

847949-49-934233-69-7

Chlorpromazine NOxide

metabolites

1672-76-0

C21H22ClFN4O3

432.88

C₁₈H₁₉ClN₄O

342.82

C17H19ClN2OS

334.86

C17H19ClN2OS
metabolites
metabolites

334.86969-99-3

Albendazole
sulfoneoxa-6-azacyclopentadecan-15-one;
4-[(3-Chloro-4-fluorophenyl)ami]-6-[3-(4morpholinyl)propoxy]-7-quinazolil;
8-Chloro-11-(4-methyl-1-piperazinyl)-5Hdibenzo[b,e][1,4]diazepine N-Oxide, C
3-(2-chlorophethiazin-10-yl)-N,Ndimethylpropan-1-amine oxide
2-Chloro-N,N-dimethyl-10H-Phethiazine-10-

Chlorpromazine
Sulfoxide

heptamethyl-11-[[3,4,6-trideoxy-3(dimethylami)-β-D-xylo-hexopyrasyl]oxy]-1-

metabolites

Gefitinib

590.7975184-71-3

propanamine 5-Oxide; 2-Chloro-10-[3(dimethylami)propyl]phethiazine 5-Oxide;

C12H15N3O4S

297.33N-[6-(Propylsulfonyl)-1H-benzimidazol-2yl]carbamic Acid Methyl Ester;VIVAN社総販売店： オー・ジー株式会社
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Desmethylprochlorperazine

metabolites

49780-18-9

C₃₆H₆₅NO₁₃
metabolites
metabolites

251451-30-6

Demethylchlorpromazine HCl

metabolites

metabolites

6104-71-8

3-OH AnagrelideHClmetabolites

719.9

synonym
2-Chloro-10-[3-(1-piperazinyl)propyl]-10Hphethiazine Dimaleate;733043-41-9

Demethylerythromycin; USP Clarithromycin
Impurity R; Erythromycin EP Impurity B

C16H21N3O3

303.362

C16H18Cl2N2S

341.30

C₁₇H₁₇ClN₄

312.8

C10H7Cl2N3O2 HCl

308.553953-65-9

N desmethylclozapine

592.06992-62-1

Zolimitriptan N
Oxide

C₂₇H₃₀ClN₃O₈S

mol_weight

Des-N-methylerythromycin;

N desmethyl
erythromycin

mol_formulaN,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4yl)methyl]-1H-indol-3-yl]ethanamine oxide

2-Chloro-N-methyl-10H-phethiazine-10propanamine Hydrochloride;
8-Chloro-11-(1-piperazinyl)-5Hdibenzo[b,e][1,4]diazepine
6,7-Dichloro-1,5-dihydro-3-hydroxyimidazo[2,1b]quinazolin-2(3H)-one HCL;
(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-

Dihydrotestosteron

C19H30O2e
metabolites

290.44521-18-6

N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-

metabolite ACT-C16H14Br2N6O4S
metabolites

1103522-45-7

metabolites

142047-93-6

4-OH Alverine HClsalttetradecahydrocyclopenta[a]phenanthren-3one

Macitenatan
132577

dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-546.19pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]sulfamide, ACT-132577

C20H27NO HCl

333.894-(3-(ethyl(3-phenylpropyl)ami)propyl)phel

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3-OH methyl
Tolcapone

metabolites

134612-80-9

mol_formula
C15H13NO5

mol_weightsynonym287.3

N-desmethyl
4-[4-[[[[4-Chloro-3-

Regorafenib- n-

C20H13ClF4N4O4oxide M5
metabolite

metabolites

484.79fluorophexy]-2-pyridinecarboxamide 1-Oxide

835621-12-0
4-[4-[[[[4-Chloro-3-

Regorafenib- noxide M2
metabolite

C21H15ClF4N4O4
metabolites

498.81835621-11-9oxide/Dasatinib

C22H26ClN7O3S
metabolites

Nefopam275.7746868-19-3

e

C19H21NO
metabolites

Oxide

metabolites

279.381156-99-6

Lamotrigine N2
136565-76-9hydroxyethyl)-1-piperazinyl]-2-methyl-4pyrimidinyl]ami]-5-thiazolecarboxamide N-

benzoxazocine; N-Desmethylnefopam;
rnefopam;(5Z)-10,11-Dihydro-5-[3-E- 10hydroxynortriptylin

fluorophexy]-N-methyl-2-pyridinecarboxamide

Oxide;
3,4,5,6-Tetrahydro-1-phenyl-1H-2,5C16H17NO. HCl

metabolites

504.00910297-52-8

Desmethyl(trifluoromethyl)phenyl]ami]carbonyl]ami]-31-Oxide
N-[2-Chloro-6-methylphenyl]-2-[[6-[4-(2-Dasatinib N
M5 metabolite(trifluoromethyl)phenyl]ami]carbonyl]ami]-3-(methylami)propylidene]-5Hdibenzo[a,d]cyclohepten-10- ol; (Z)-10Hydroxyrtriptyline; 10-Hydroxy-(Z)-rtriptyline;

C9H7Cl2N5O

272.096-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5diamine 2-Oxide;VIVAN社総販売店： オー・ジー株式会社
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mol_formulamol_weightsynonym(1S)-1,5-anhydro-1-(4-chloro-3-{4-[(3S)-(S)-Empagliflozin

C23H27ClO7
metabolites

864070-44-0

Daunorubicin HCl

chlorpromazine

metabolites

563.9823541-50-6

7 hydroxy2095-62-7

tetrahydrofuran-3-yloxy]benzyl}phenyl)-Dglucitol1-chhloro-4-(glucopyras-1-yl)-2-(4(tetrahydrofuran-3-yloxy)benzyl)benzene(8S,10S)-10-[(3-Ami-2,3,6-trideoxy-α-L-lyxo-

C27H29NO10.HCl
metabolites

450.91hexopyrasyl)oxy]-7,8,9,10-tetrahydro-6,8,11trihydroxy-8-[1-hydroxyethyl]-1-methoxy-5,12naphthacenedione Hydrochloride;

C17H19ClN2OS

334.86

C8H20N4O

188.278-Chloro-10-[3-(dimethylamipropyl]-10Hphethiazin-3-ol;

N1 acetyl
triethelene
tetraminemetabolites

N-Acetyl-triethylenetetramine

141998-21-23-(Dibenz[b,e]oxepin-11(6H)-ylidene)-N-

nor Doxepin

C18H19NO.HCL

hydrochloride
metabolites

nor Doxepin

metabolites

2887-91-4
1225-56-5

methyl-1-propanamine; ∆11(6H),γ-[3(Methylami)propylidene]dibenz[b,e]oxepine
Hydrochloride

C18H19NO

265.356(3E)-3-(6H-benzo[c][1]benzoxepin-11ylidene)-N-methylpropan-1-amine
2-[[5-(4-Bromophenyl)-6-Macitentan
metabolite 373898

301.81

C₁₅H₁₇BrN₄O₅S
metabolites

1433875-14-9445.29[[(propylami)sulfonyl]ami]-4-pyrimidinyl]oxy]acetic Acid;

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mol_formulamol_weightsynonym
3β,5Z,7E)-9,10-Secocholesta-5,7,10(19)-Calcifedol

C27H44O2
metabolites

400.64

19356-17-3

Hydroxyvitamin D;

N,N-

Carbamic acid, diethyldithio-, sodium salt,

Diethyldithiocarba
mate

C5H10AgNS2
metabolites

1470-61-7

metabolites

392-74-5

Diethyl dithio
carbamate256.14

Dimethoxybenzoic
metabolites

C5H10NS2

148.262

C9H10O4

182.175

C20H34F2O5

392.4893-07-2

15 OH
Lubiprostone

metabolites

475992-30-4

trihydrate (8CI) ;Carbamodithioic acid, diethyl-,sodium salt, trihydrate (9CI)

3,4acidtriene-3,25-diol; 25-Hydroxycholecalciferol; 25-

Carbamodithioic acid, diethyl-, ion(1-);

Benzoic acid, 3,4-dimethoxy-;
Dimethylprotocatechuic acid;7-[(1R,2R,3R)-2-(4,4-difluoro-3-hydroxyoctyl)3-hydroxy-5-oxocyclopentyl]heptaic acid
[S-(R*,S*)]-γ-[(3-Carboxy-1-oxopropyl)ami]-

Desethyl sacubitril

C22H25NO5
metabolites

149709-44-4

17 betaexemestane

metabolites

122370-91-6

α-methyl-[1,1’-Biphenyl]-4-pentaic Acid;(2R,4S)-4-[(3-Carboxy-1-oxopropyl)ami]-4-[(pphenylphenyl)methyl]-2-methylbutaic Acid;

C20H26O2

298.4217β-Hydroxy-6-methyleneandrosta-1,4-dien3-one ;2-[[3-(Hydroxymethyl)-2-methylphenyl]ami]-

3-OH Methyl
Mefenamic acid383.44

C15H15NO3
metabolites

5129-20-4

257.29benzoic Acid; N-(α3-Hydroxy-2,3-xylyl)anthranilic Acid;

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3 Carboxy
Mefenamic acidmetabolites

190379-82-9

C24H31NO6
metabolites

metabolites

Acid;methoxyphenyl)ethyl]phexy]propan-2-yl]oxy-4-

229.27

naphthalenyl)ethyl]acetamide; ODemethylagomelatine; S 21517;(Z)-2-[4-(1,2-Diphenyl-1-butenyl)phexy]-N-

C₂₅H₂₈ClNO
metabolites

metabolites
metabolites

393.9515917-65-4
159681-67-1
244206-52-8

methylethanamine Hydrochloride;NDemethyltamoxifen Hydrochloride;

C29H35NO4

461.59

C28H33NO4

459.57(11β)-17-Hydroxy-11-[4-(methylami)phenyl]19-rpregna-4,9-diene-3,20-dione;(11β)-11-(4-Amiphenyl)-17-hydroxy-19rpregna-4,9-diene-3,20-dione;
N-(2-(Cyclopropanecarboxamido)ethyl)-2-

M12 METABOLITEOF OLAPARIB

429.513152302-45-9

N,N-Didesmethyl
Ulipristal

3-[(2-Carboxyphenyl)ami]-2-methylbenzoic

oxobutaic acid
C₁₄H₁₅NO₂

N desmeThyl
ulipristal

synonymN-[2-(7-Hydroxy-1-

N-Desmethyl
Tamoxifen HCl

271.27125926-17-2

7-desmethyl
agomelatine

C15H13NO4

mol_weight4-[1-(dimethylami)-3-[2-[2-(3-Sarpogrelate
metabolite

mol_formula

C24H24FN4O4
metabolites

NA

M15 METABOLITEOF OLAPARIB
NA

fluoro-N-(2-hydroxyethyl)-5-((4-oxo-3,4dihydrophthalazin-1-yl)methyl)benzamide4-((3-(4-(Cyclopropanecarbonyl)piperazine-1-

C24H23FN4O4
metabolites

452.47450.46

carbonyl)-4fluorophenyl)(hydroxy)methyl)phthalazin1(2H)-one

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C24H23FN4O3
metabolites

434.46763113-22-0
C12H9NO3

metabolites

215.2077837-08-2

dihydropyridine-3-carboxylic Acid;

C10H22N4O2
metabolites

230.31N-(2-Chloro-6-methylphenyl)-2-[[2-methyl-6-

Dasatinib/Dasatini

C20H22ClN7OS
metabolites(1-piperazinyl)-4-pyrimidinyl]ami]-5thiazolecarboxamide;N-[2-[(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-

C₂₀H₂₀N₂O₇S
metabolites

537.57160970-86-5

3-Demethyl7336-33-6

metabolites

1189961-95-2

N desmethyl[[2-[2-(2,2,2trifluoroethoxy)phexy]ethyl]ami]propyl]-1HIndole-7-carboxamideN-[(7S)-5,6,7,9-Tetrahydro-3-hydroxy-1,2,10-

C21H23NO6
metabolites

methylsulfonylethyl]-1,3-dioxoisoindol-4yl]acetamide(R)-1-[3-(Acetyloxy)propyl]-2,3-dihydro-5-[2-C27H34F3N3O5
metabolites

432.451384441-38-6

O-Acetyl Silodosin

atomoxetin

443.95910297-51-7

O-Desmethyl

Colchicine

ethanediyl)]bisacetamide; N1,N10Diacetyltriethylenetetramine;

141998-22-3

N-Deshydroxyethyl

Apremilast

pyridinecarboxylic Acid; 6-Oxo-1-phenyl-1,6-

N,N’-[1,2-Ethanediylbis(imi-2,1-

Triethelyneb metabolite M4yl]carbonyl}-4-fluorophenyl)methyl]phthalazin1(2H)-one

N1 N10 diacetyl
tetraminesynonym

1,6-Dihydro-6-oxo-1-phenyl-3-

5 carboxy
pirfenidione

mol_weight4-[(3-{[4-(cyclopropylcarbonyl)piperazin-1-

M18 METABOLITEOF OLAPARIB

mol_formula385.42

trimethoxy-9-oxobenzo[a]heptalen-7-yl]acetamide; O3-Demethylcolchicine;

C16H19NO

241.343-(2-methylphexy)-3-phenylpropan-1-amine;VIVAN社総販売店： オー・ジー株式会社
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mol_formulamol_weightsynonym
3-Methyl-4-[(1R)-3-(methylami)-1-

4 OH atomoxetin

C17H21NO2
metabolites

271.35435293-66-6

phenylpropoxy]phel; Atomoxetine 4-Hydroxy
Impurity

Dasatinib
4-[6-[[5-[[(2-Chloro-6-

Carboxylic Acid
Ethyl

C24H28ClN7O3S

530.04

Ester/Dasatinib
metabolite M6

methyl-4-pyrimidinyl]-1-piperazineacetic Acid
Ethyl Ester

metabolites

910297-62-0[4,6-Diami-2-[1-[(2-fluorophenyl)methyl]-1H-

N desmethyl
Riociguat

methylphenyl)ami]carbonyl]-2-thiazolyl]ami]-2-

C19H17FN8O2
metabolites

408.4

625115-52-8

pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-,methyl ester carbamic acid;6S)-5,6,7,8-tetrahydro-6-[propyl[2-(2-Rotigotine Sulfate

C₁₉H₂₅NO₄S₂
metabolites

128478-69-3

Sulfate);C₁₆H₁₉NO₄S₂

metabolites

metabolites

353.461196459-54-7

N-desthienylethyl
rotigotine sulfate

thienyl)ethyl]ami]-1-naphthalel 1-(Hydrogen(6S)-5,6,7,8-Tetrahydro-6-[[2-(2-N-despropyl
Rotigotine sulfate395.54154714-31-5

thienyl)ethyl]ami]-1-naphthalel 1-(Hydrogensulfate)C₁₆H₁₉NO₄S₂

285.36(S)-5,6,7,8-Tetrahydro-6-(propylami)-1naphthalel Hydrogen Sulfate Ester
Ethylmethylcarbamic Acid 3-[(1S)-1-

Rivastigmine

C10H15NO

metabolite
metabolites

1217706-31-4

165.23(Dimethylami)ethyl]phenyl Ester;
Ethylmethylcarbamic Acid 3-[1(dimethylami)ethyl]phenyl Ester, (S)-;VIVAN社総販売店： オー・ジー株式会社
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mol_formulamol_weightsynonym[(8R,9S,10R,13S,14S)-10,13-dimethyl-17-(1-N-oxideC24H31NO5S

Abiraterone SO4
metabolites

Acetyl Isoniazid

metabolites

445.57NA
1078-38-2

oxidopyridin-1-ium-3-yl)2,3,4,7,8,9,11,12,14,15-decahydro-1Hcyclopenta[a]phenanthren-3-yl] hydrogen

C₈H₉N₃O₂

179.182-Acetylhydrazide-4-pyridinecarboxylic Acid; 1Acetyl-2-isonicotiylhydrazine; Acetylisoniazide;
α1-[[(1,1-Dimethylethyl)ami]methyl]-4-

Albuterol sulphate

C13H21NO6S
metabolites

51022-70-9

6-Hydroxy
Chlorzoxazone

metabolites

1750-45-4

Tapentadol O
sulphate

metabolites

1300037-87-9

Albuterol Hemisulfate;
C7H4ClNO3

185.6

C14H23NO4S

301.4

C20H23FN4O2
metabolites

370.42356068-97-8

5-Chloro-6-hydroxy-2(3H)-benzoxazolone; 6Hydroxychlorzoxazone; NSC 24955;[3-[(2R,3R)-1-(dimethylami)-2-methylpentan3-yl]phenyl] hydrogen sulfate
dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4dimethyl-1H-pyrrole-3-carboxamide;(1S)-1-[3-(Dimethyloxidoami)propyl]-1-(4-Escitalopram N
oxidehydroxy-1,3-benzenedimethal Sulfate; Aerolin;N-[2-(Ethylami)ethyl]-5-[(Z)-(5-fluoro-1,2-

N-desethyl
Sunitinib

319.37

C20H21FN2O2
metabolites

917482-45-2

Pravastatin
Lactone85956-22-5

fluorophenyl)-1,3-dhydro-5isobenzofurancarbonitrile ;(2S)-2-Methylbutaic Acid (1S,3S,7S,8S,8aR)-

C₂₃H₃₄O₆
metabolites

340.4

406.51

1,2,3,7,8,8a-Hexahydro-3-hydroxy-7-methyl-8[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2Hpyran-2-yl]ethyl]-1-naphthalenyl Ester; R 414;

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mol_formulamol_weightsynonym(βR,δR,1S,2R,3S,8S,8aR)-1,2,3,7,8,8a-

3 Alpha hydroxy

C₂₃H₃₅O₇

Pravastatin
metabolites

Olanzapine N oxide

metabolites

423.5181093-43-8
174794-02-6[(2S)-2-methyl-1-oxobutoxy]-1naphthaleneheptaic Acid

C₁₇H₂₀N₄OS

328.433',4'-

2-Methyl-4-(4-methyl-4-oxido-1-piperazinyl)10H-thie[2,3-b][1,5]benzodiazepine;
1-(3,4-Dihydroxyphenyl)-2-propane; 1-(3’,4’-

DIHYDROXYPHENYL ACETONE

Hexahydro-β,δ,3-trihydroxy-2-methyl-8-

C9H10O3
metabolites

166.17Dihydroxyphenyl)-2-propane; 1-(3,4Dihydroxyphenyl)-2-propane;2503-44-8[(8R,9S,10R,13S,14S)-10,13-dimethyl-17-

Abiraterone O

C24H31NO4S

sulphate
metabolites

NA

metabolites

131926-99-3

DexLansoprazole
sulfone5-OH Lansoprazole

metabolites

131926-98-2

429.575

pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro1H-cyclopenta[a]phenanthren-3-yl] hydrogensulfateC16H14F3N3O3S

385.36

C₁₆H₁₄F₃N₃O₂S

369.36

Lansoprazole sulfone
2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2pyridinyl]methyl]thio]-1H-benzimidazol-6-ol;
2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-

Conjugated

3,7-dihydroxy-10,13-dimethyl-Taurine obeticholic

C28H48NNaO6S

549.74

2,3,4,5,6,7,8,9,11,12,14,15,16,17tetradecahydro-1H-cyclopenta[a]phenanthren-acid
metabolites

NA17-yl]pentayl]ami]ethanesulfonic acid

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mol_formulamol_weight3OH

N-[2-(3,7-dihydroxy-1-

7DESMETHYLAGOMELATINE

synonym

C14H15NO3
metabolites

245.27

naphthalenyl)ethyl]acetamide; Agomelatine 7Desmethyl-3-Hydroxy Impurity

166527-00-0(11β)-17-(Acetyloxy)-11-[4N-Desmethyl

C29H35NO4

Ulipristal Acetate
metabolites

159681-66-0

N,N-Didesmethyl
Ulipristal Acetate

metabolites

NA

Dapoxetine NOxide HCl

metabolites

1346603-24-4

Axitinib sulfoxide(M12)
Nefopam N oxide

metabolites
metabolites

1347304-18-0
66091-32-5

3 OH N propagyl 1
aminoindan
3 OH 1 aminoindan

metabolites

NA

metabolites

NA

3 Hydroxy
Pilocarpine

metabolites

461.59936031-05-9(methylami)phenyl]-19-rpregna-4,9-diene3,20-dione; CDB 3877; N-Modemethyl
CDB 2914;

C28H33NO4

459.57

C21H23NO2. HCl

357.88

C22H18N4O2S

402.47

C₁₇H₁₉NO₂

269.34

C12H13NO

187.24

C9H11NO

149.19

C11H16N2O3

224.26(11β)-17-(Acetyloxy)-11-(4-amiphenyl)-19rpregna-4,9-diene-3,20-dione(αS)-N,N-Dimethyl-N-oxido-α-[2-(1naphthalenyloxy)ethyl]benzenemethanamine;
N-Methyl-2-[[3-[(1E)-2-(2-pyridinyl)ethenyl]1H-indazol-6-yl]sulfinyl]-benzamide
3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5benzoxazocine 5-Oxide;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1amine(3S,4R)-3-ethyl-3-hydroxy-4-[(3methylimidazol-4-yl)methyl]oxolan-2-one

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mol_formulamol_weightsynonym
1-Acetamidoadamantane; 1-

N acetylated

C₁₂H₁₉NO

Amantadine
metabolites

880-52-4

Ranolazine NOxide(2-hydroxy-3-(2methoxyphexy)propyl)piperazine 1-oxide

C₂₄H₃₃N₃O₆
metabolites

459.541246816-00-1

methoxyphexy)propyl]-1-piperazineacetamide
1,4-Dioxide;
4-[6-[[5-[[(2-Chloro-6-

C₂₂H₂₄ClN₇O₃S
metabolites

501.99910297-53-9

methylphenyl)ami]carbonyl]-2-thiazolyl]ami]-2methyl-4-pyrimidinyl]-1-piperazineacetic Acid;(3R,6E)-7-[4-(4-Fluorophenyl)-6-(1-Rosuvastatin Keto
Acid

Acetylamiadamantane; N-(1-

N-(2,6-Dimethylphenyl)-4-[2-hydroxy-3-(2-Dasatinib
carboxylic acid443.54

N/A

Ranolazine Bis Noxide

Acetamidotricyclo[3.3.1.1(3,7)]decane; 1Adamanthyl)acetamide;
1-(2-((2,6-dimethylphenyl)ami)-2-oxoethyl)-4-

C24H33N3O5
metabolites

193.29

C₂₂H₂₆FN₃O₆S
metabolites

479.521346747-49-6

25 hydroxy vitamin

pyrimidinyl]-3-hydroxy-5-oxo-6-hepteic Acid;(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)C28H44O2

D2
metabolites

21343-40-8

metabolite M21

metabolites

NA

Isocitric acidmetabolites

C6H5Na3O7 · XH2O
1637-73-6 (anhydrous)

Dasatinib

methylethyl)-2-[methyl(methylsulfonyl)ami]-5-

412.65octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5trimethyl-2-hexenyl]-7a-methyl-4H-inden-4ylidene]ethylidene]cyclohexal;

C22H25N7O2S

451.55258.071-hydroxypropane-1,2,3-tricarboxylic acid

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C16H21NO3
metabolites

synonym2-naphthalel; (+/-)-8-[2-Hydroxy-3-[(1methylethyl)ami]propoxy]-2-naphthalel;5'-Hydroxypropralol;5-Hydroxy Propralol;1-(5-C16H21NO3
metabolites

275.3481907-82-6

Hydroxy-1-naphthoxy)-3-(isopropylami)-2propal;
3-(((4-N-methyl-2-(4-methylpiperazin-1-

M1 Metabolite ofNintedanib

275.3481907-81-5

5-HYDROXYPROPRANOLOL

mol_weight8-[2-Hydroxy-3-[(1-methylethyl)ami]propoxy]-

7-HYDROXYPROPRANOLOL

mol_formula

C30H31N5O4
metabolites

525.61656247-17-5yl)acetamido)phenyl)ami)(phenyl)methylene)2-oxoindoline-6-carboxylicacid;E)-(+/-)-7-[3-(4-Fluorophenyl)-1-

5 oxo fluvastatin

C24H23FNO4
metabolites

NA64118-84-9

metabolites

NA

metabolites

NA

Thiothixene
Sulfoxide
Liothyronine
sulfatemetabolites

31135-55-4

312.15hydroxyphenyl)ami]benzeneacetic Acid; 4’Hydroxydiclofenac

C22H27N3O2S2

429.60NA

C23H29N3O3S2

459.62NA

C₁₅H₁₂I₃NO₇S

731.04

Triiodothyronine Sulfate; 3,5-Diiodo-O-[3-iodo4-(sulfooxy)phenyl]-L-tyrosine;
17α-Hydroxy-7α-(methylthio)-3-oxo-pregn-4-

7- Alpha thiomethyl
Spironolactone

6-hepteic Acid;
C14H11Cl2NO3

metabolites

N desmethyl
thiothixene(methylethyl)-1H-indol-2-yl]-3-hydroxy-5-oxo2-[(2,6-Dichloro-4-

4 hydroxy
diclofenac

408.43

C₂₃H₃₂O₃S
metabolites

38753-77-4

388.56ene-21-carboxylic Acid γ-Lactone;SC 26519; 7
α-Thiomethylspirolactone; 7α-Thiomethyl-SL;

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mol_formulamol_weight

6-β-Hydroxy-7-α-(6β,7α,17α)-6,17-Dihydroxy-7-(methylthio)-

thiomethyl
Spirolactone

C23H32O4S
metabolites

metabolites

404.56139079-39-3

C₂₁H₂₅N₃O₃S

399.51

Metabolite - ACT

6-hydroxy etodolac

C25H29N3O3
metabolites
metabolites

419.53475085-57-5
101901-06-8

methylethyl)ami]butoxy]-acetic Acid; [4-[(5,6Diphenylpyrazinyl)(1-methylethyl)ami]butoxy]-

C₁₇H₂₁NO₄

303.35

1,8-Diethyl-1,3,4,9-tetrahydro-6hydroxypyra[3,4-b]indole-1-acetic Acid;(3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-6-

Hydroxybenzbroma

C17H12Br2O4
metabolites

152831-00-0

metabolites

329216-63-9

Quetiapine
Sulfoxide

piperazinyl]dibenzo[b,f][1,4]thiazepin-7-ol;

acetic Acid;

6rone

11-[4-[2-(2-Hydroxyethoxy)ethyl]-12-[4-[(5,6-Diphenyl-2-pyrazinyl)(1-

Selexipag
3336793-oxo-pregn-4-ene-21-carboxylic Acid γLactone

42219-60-3

7 hydroxyquetiapine

synonym

1788901-86-9

Dibromo-4-hydroxyphenyl)(2-ethyl-6-

399.51yl)-1-piperazinyl]ethoxy]ethal;Quetiapine SOxide; Quetiapine EP Impurity S;
4-[3-Chloro-4-

C21H19ClN4O5
metabolites

hydroxy-3-benzofuranyl)methane;(3,5hydroxybenzofuran-3-yl)methane
2-[2-[4-(5-Oxidodibenzo[b,f][1,4]thiazepin-11-

C₂₁H₂₅N₃O₃S

Lenvatinib N-Oxide

440.08442.85[[(cyclopropylami)carbonyl]ami]phexy]-7methoxy-6-quilinecarboxamide 1-Oxide;
Lenvatinib Metabolite M3

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C20H17ClN4O4
metabolites

synonym[[(cyclopropylami)carbonyl]ami]phexy]-7hydroxy-6-quilinecarboxamide; Lenvatinib M2
N-Methyl-5H-dibenzo[a,d]cycloheptene-Δ5,γ-C19H19N
metabolites
metabolites

261.36303-50-4

Chlorpromazine Noxide

412.83

C20H17ClN4O4

Norcyclobenzaprinemol_weight4-[3-Chloro-4-

O-Demethyl
Lenvatinib

mol_formula1672-76-0

propylamine; 3-(5H-Dibenzo[a,d]cyclohepten5-ylidene)-N-methyl-1-propanamine;

C17H19ClN2OS

334.863-(2-chlorophethiazin-10-yl)-N,Ndimethylpropan-1-amine oxide
2-Chloro-N,N-dimethyl-10H-Phethiazine-10-

Sulphoxy

C17H19ClN2OS

chlorpromazine
metabolites

NA

metabolites

132172-14-6

Desmethyltacrolimus
Phloroglucinol
Sulphate

metabolites

72630-02-5

334.86acid (AN8323)

metabolites

613-94-5

metabolites

52334-53-9

3-Hydroxy
Fampridine
3-Hydroxy
Fampridine Sulfate metabolites

NA(dimethylami)propyl]phethiazine 5-Oxide; NSC
17470;C43H67NO12

790.01C₆H₉NO₆S

223.2

C14H10BNO3

251.048

C5H6N2O

110.1164-amipyridin-3-ol

C5H6N2O4S

190.177(4-amipyridin-3-yl)oxidanesulfonic acid5-(4-cyaphexy)-2hydroxyl benzoic

propanamine 5-Oxide; 2-Chloro-10-[3-13-Desmethyl FK 506
3,5-Dihydroxyphenyl Hydrogen Sulfate,Ammonia Salt
4-[(1-hydroxy-3H-2,1-benzoxaborol-5yl)oxy]benzonitrile

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mol_formulamol_weightsynonym
L-Cysteinyl-L-cysteinyl-L-α-glutamyl-Ltyrosyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-

Linaclotide

C₅₉H₇₉N₁₅O₂₁S₆

Metabolite

Tizaxonide

1526.74

L-cysteinyl-L-tyrosine Cyclic (1→6),(2→10),(5metabolites

851199-59-2

metabolites

173903-47-4

C10H7N3O4S

265.24(Bosentan

C26H27N5O7S

metabolite

metabolites

253688-62-9

Dasatinib M24

metabolites

910297-58-4

4-methoxy
metabolites

75439-01-9

Promethazine NOxide

metabolites

81480-39-9

553.587hydroxyethoxy)-5-(2-hydroxyphexy)-2(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1sulfonamide

C22H26ClN7O3S

504

C₁₀H₁₅N₅O₂

237.26

C₁₇H₂₀N₂OS

300.42

C₁₇H₂₀N₂O₂S
metabolites

316.4213754-56-8NA
N-(4,5-Dihydro-1H-imidazol-2-yl)-4,6dimethoxy-2-methyl-5-pyrimidinamine
N,N,α-Trimethyl-10H-phethiazine-10ethanamine N-Oxidehydroxyfluphenazin

C₂₂H₂₆F₃N₃O₂S
metabolites

33098-48-5

10-ethanamine; 10-[2-(dimethylami)propyl]5,5-dioxidephethiazine;

7eyl)benzamide

N,N,α-Trimethyl-5,5-dioxide-10H-phethiazine-

Promethazine
Sufone→13)-Tris(disulfide);
2-hydroxy-N-(5-nitro-1,3-thiazol-24-(1-hydroxy-2-methylpropan-2-yl)-N-[6-(2-RO 64-1056

Moxonidine

L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-

453.520-[3-[4-(2-Hydroxyethyl)-1-piperazinyl]propyl]8-(trifluoromethyl)-10H-phethiazin-3-ol;

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mol_formulamol_weightsynonym2-[4-[3-[2-(Trifluoromethyl)phethiazin-10yl]propyl]-1-piperazinyl]ethyl Ester Decaic Acid

Fluphenazine

N-Oxide 4-[3-[2-(trifluoromethyl)phethiazin-

Decanoate N-

C₃₂H₄₄F₃N₃O₃S

607.7710-yl]propyl]-1-Piperazineethal Decaate (Ester)N-oxide 2-[1-Oxido-4-[3-[2-(trifluoromethyl)-Oxide

10H-phethiazin-10-yl]propyl]-1metabolites

76005-64-6

piperazinyl]ethyl Ester Decaic Acid
2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-N-((3ami-4-(((tetrahydro-2H-pyran-4-

Venetoclax M30

C45H53ClN7O5S

838.35yl)methyl)ami)phenyl)sulfonyl)-4-(4-((4’chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-

metabolites

NAbiphenyl]-2-yl)methyl)piperazin-1+)-9-O-DESMETHYL-DTBZ;2HBENZO[A]QUILIZINE-2,9-DIOL, 1,3,4,6,7,11B-

O-DESMETHYL
DIHYDROTETRABC18H27NO3

305.41ENAZINE

BENZO[A]QUILIZINE-2,9-DIOL, 1,3,4,6,7,11BHEXAHYDRO-10-METHOXY-3-(2-metabolites

1065193-59-0

metabolites

15676-23-0

N-Desmethyldextrorphan

HEXAHYDRO-3-ISOBUTYL-10-METHOXY-;2H-

METHYLPROPYL)-;
C16H21NO

243.34NA

C6H8O4144.126(E)-4-ethoxy-4-oxobut-2-eic acid

Ethyl hydrogen
fumarate/Monoeth
yl fumarate

metabolites

2459-05-4

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mol_formulamol_weightsynonym(αR,βS)-β-(Benzoylami)-α,4dihydroxybenzenepropaic Acid 6,12bBis(acetyloxy)-12-(benzoyloxy)-

6 hydroxy

C47H51NO15

paclitaxel

869.917

2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo7,11-metha-1H-cyclodeca[3,4]benz[1,2-b]oxet-

metabolites

153212-75-0

N desmethyl
tapentadol

metabolites

1300037-83-5

C24-H29-Cl2-N3-O3
metabolites

207.317

metabolites

478.4171

NA

Tenofovir
Monophosphate

C13H21NO

3-[(2R,3R)-2-methyl-1-(methylami)pentan-3yl]phel2(1H)-Quiline, 7-(4-(4-(2,3-dichlorophenyl)-1-

N-Hydroxymethyl
aripiprazole

9-yl Ester;

206646-04-0

piperazinyl)butoxy)-3,4-dihydro-1(hydroxymethyl)-

C9H15N5O7P2

367.2

Isohypophosphoric acid, [[(1R)-2-(6-ami-9Hpurin-9-yl)-1-methylethoxy]methyl]- (9CI);[(2R)-1-(6-amipurin-9-yl)propan-2-

Tenofovir

C9H16N5O10P3

Diphosphatemetabolites

4-O-Methyl Dopa

metabolites

447.173166403-66-3
555-30-6yl]oxymethyl[hydroxy(phosphooxy)phosphoryl]oxyphosphinic acidC10H13NO4

211.217(2S)-2-ami-3-(3-hydroxy-4methoxyphenyl)propaic acid
N,N’’-Bis(4-chlorophenyl)-3,12-diimi-2,4,11,13-

Chlorhexidine

C₂₂H₃₀Cl₂N₁₀2[CH₃COOH]
505.4526005

acetatemetabolites

56-95-1

tetraazatetradecanediimidamide Diacetate; 1,1’
-Hexamethylenebis[5-(p-chlorophenyl)biguanide Diacetate;

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N desmethyl
ranolazine

metabolites

172430-45-4

Desmethyl
Rivastigmine

metabolites

1230021-28-9

metabolites

117707-40-1

N-Desmethyl
Levofloxacin

mol_formulamol_weight

C₂₃H₃₁N₃O₄

413.51

C13H20N2O2

236.315

C17H18FN3O4

347.346

synonym
N-(2,6-Dimethylphenyl)-4-[2-hydroxy-3-(2hydroxyphexy)propyl]-1-piperazineacetamide[3-[(1S)-1-(dimethylami)ethyl]phenyl] N,Ndimethylcarbamate
Levofloxacin related compound A;
4-[5-[4-(Hydroxymethyl)phenyl]-3-

Hydroxy celecoxib

C17H14F3N3O3S
metabolites

Tapentadol NOxide

metabolites

1346601-17-9

metabolites

237.343(2R,3R)-3-(3-hydroxyphenyl)-N,N,2trimethylpentan-1-amine oxide

428.39yl]phexy]-N-methylethanamine HydrochlorideSalt;
4-[(1Z)-4-Chloro-1-[4-[2-C₂₆H₂₈ClNO₂
metabolites

421.96177748-22-0(dimethylami)ethoxy]phenyl]-2-phenyl-1buten-1-yl]phel; (Z)-4-Hydroxytoremifene;
2-[4-[(1Z)-4-Chloro-1,2-diphenyl-1-

C₂₆H₂₈ClNO₂
metabolites
metabolites

421.96163130-29-8

6 hydroxy
desloratidine

C14H23NO2

176671-73-1

Toremifene NOxideyl]benzenesulfonamide

C₂₅H₂₇Cl₂NO

4-Hydroxy
Toremifene(trifluoromethyl)-1H-pyrazol-1-

2-[4-[(1Z)-4-Chloro-1,2-diphenyl-1-buten-1-

N-Desmethyl
Toremifene HCl

397.37170571-00-3

119410-05-8

butenyl]phexy]-N,N-dimethylethanamine NOxide;

C₁₉H₁₉ClN₂O

326.828-Chloro-6,11-dihydro-11-(4-piperidinylidene)5H-benzo[5,6]cyclohepta[1,2-b]pyridin-6-ol;

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mol_weightsynonym
1,2,3,9-Tetrahydro-3-[(2-methyl-1H-imidazol-

N-Demethyl
Ondansetron

mol_formula
C₁₇H₁₇N₃O

metabolites

279.3499614-14-91-yl)methyl]-4H-carbazol-4-one;
Desmethylondansetron;
3-Methoxy-O-methyl-L-tyrosine; (S)-3,4-

1-Veratrylglycine

C₁₁H₁₅NO₄
metabolites

32161-30-1

Rac α-Methyl
Dopa

metabolites

225.2455-40-3

Dimethoxyphenylalanine; β-(3,4Dimethoxyphenyl)-L-alanine;

C₁₀H₁₃NO₄

211.213-Hydroxy-α-methyltyrosine; 3-(3,4Dihydroxyphenyl)-2-methylalanine;4-(2-Chlorophenyl)-2-[[2-N-Formyl

C₂₁H₂₅ClN₂O₆

Amlodipine
metabolites

93848-81-8

metabolites

114018-75-6

Amlodipine
Metabolite 5436.89(formylami)ethoxy]methyl]-1,4-dihydro-6methyl-,3,5-pyridinedicarboxylic Acid 3-ethyl 5methyl Ester

C19H18ClNO7

407.81

Amlodipine Metabolite 5

C10H11NO4

209.2

Amlodipine Impurity

C20H23ClN2O6

422.86

Dehydro Amlodipine N-Oxide

N-(2hydroxyethyl)phthalamic acidmetabolites

58509-24-3

DehydroAmlodipine NOxide

metabolites

113994-41-5

Deschloro

3-ethyl 5-methyl 2-((2-amiethoxy)methyl)-6-

Amlodipine
MaleateC20H26N2O5
metabolites

88150-53-2

374.44

methyl-4-phenyl-1,4-dihydropyridine-3,5dicarboxylate

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Desmethoxy
Curcuminmetabolites

24939-17-1

338.35

C257H398N62O73S6 5649.53
metabolites

NAsynonym(E,E)-1-(4-Hydroxy-3-methoxyphenyl)-7-(4hydroxyphenyl)-1,6-heptadiene-3,5-dione;
glutamylalanyltyrosylleucyl(methyl)valyl;
methylglycyl;
glycylseryl(methyl)histidyl; leucylvalyl-a-Glargine
Metabolite 1

C₂₀H₁₈O₅

mol_weight

glycylseryl(methyl)histidyl; leucylvalyl-a-Glargine
Metabolite 2

mol_formula

C261H405N63O75S6 5750.64
metabolites

NAglutamylalanyltyrosylleucyl(methyl)valyl;
methylglycyl;[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-

Raloxifene N oxide
4 Chloro aniline

C28H27NO5S
metabolites

195454-31-0

metabolites

106-47-8

489.583-yl][4-[2-(1-oxido-1piperidinyl)ethoxy]phenyl]methane;

C6H6ClN; ClC6H4NH2 127.571

4-Chlorobenzenamine; P-Chloraniline;

3 hydroxy
2-Ethoxy-4-[2-[[1-[2-(3-hydroxy-1-

repaglinide

C27H36N2O5(Mixture of
Diastereomers)

metabolites
metabolites

piperidinyl)phenyl]-3-methylbutyl]ami]-2oxoethyl]benzoic Acid;

874908-14-2

9-Methoxy
Guanine468.591202645-50-8

C₇H₉N₅O₂

195.18

C22H26ClN7O3S

504.002-Ami-1,9-dihydro-9-(methoxymethyl)-6Hpurin-6-one;

4'-Hydroxy
Dasatinib/Dasatinib
metabolite M20

metabolites

910297-57-3

N-(2-Chloro-4-hydroxy-6-methylphenyl)-2-[[6[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4

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mol_formulamol_weightsynonym
3-(Cyclopropylmethoxy)-N-(3,5-dichloro-

C₁₇H₁₄Cl₂F₂N₂O₄

Roflumilast N-oxide metabolites
Chloropromozine N-oxide
metabolites
9-Methoxy Gunaninemetabolites

1-oxido-4-pyridinyl)-4-419.21292135-78-5
NA1202645-50-8(difluoromethoxy)benzamide;
C17H19ClN2OS

3-(2-chlorophenothiazin-10-yl)-N,Ndimethylpropan-1-amine oxide

334.86C₇H₉N₅O₂

195.182-Amino-1,9-dihydro-9-(methoxymethyl)-6Hpurin-6-one;
7-[4-(4-Benzo[b]thien-4-yl-1-oxido-1-

C25H27N3O3S

Brexpiprazole N-oxide
metabolites
N-Desmethyl chloropromazine
metabolites
Des gly midodrine

metabolites

449.58NANA
3600-87-1

Brexpiprazole Impurity 3

C10H15NO3

13C6 15N
C255H367N64O74S6.

Insulin Glargine Metabolite
metabolites
1 SIL 13C615N
NALeu

2-Chloro-N-methyl-10H-phenothiazine-10-

C16H17ClN2S

C251H360N63O72S6.

Insulin Glargine Metabolite
metabolites
2 SIL 13C615N
NALeu

13C6 15N

304.84 propanamine Hydrochloride;197.23'5656.60'5757.70

6 hydroxychloroxazone(VL/
M-287-03(P))

C7H4ClNO3
metabolites

1750-45-4

piperazinyl)butoxy]-2(1H)-quinolinone;

185.561-(2’,5’-Dimethoxyphenyl)-2-aminoethanol; α(Aminomethyl)-2,5-dimethoxy-benzyl Alcohol;

Insulin Glargine Metabolite 2 13C6 15N
Insulin Glargine Metabolite 1 13C6 15N
5-Chloro-6-hydroxy-2(3H)-benzoxazolone; 6Hydroxychlorzoxazone; NSC 24955;

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mol_formulamol_weightsynonym2-Oxo-3-((2’-(5-oxo-4,5-dihydro-1,2,4-

C23H16N4O5

O-desethyl azilsartanmetabolites

428.391442400-68-1

oxadiazol-3-yl)-[1,1’-biphenyl]-4-yl)methyl)2,3-dihydro-1H-benzo[d]imidazole-4-carboxylic
Acid(3R,4R,5S)-4-(Acetylamino)-5-amino-3-(1C14H23NaN2O4

Oseltamivir acid sodium
metabolites
salt

306.35187227-45-8ethylpropoxy)-1-cyclohexence-1-carboxylic
Acid sodium salt;
1,3,5(10)-Estratriene-3,17β-diol 3-sulfate,

Beta Estradiol 3Sulfate sodium salt metabolites

C18H23O5SNa

4999-79-5

374.433,17β-Dihydroxy-1,3,5(10)-estratriene 3sulfate